SCHEMBL17469806

SCHEMBL17469806

Nc1ncc2ccc(Cl)cc2c1/C=C/c1ccc(C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 5/20 0.45
ENPP2 Q13822 1/20 0.42
FLT3 P36888 2/20 0.41
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
DUSP3 P51452 1/20 0.37
PTPN5 P54829 1/20 0.37
PTPN11 Q06124 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
PIM1 P11309 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
SLC16A3 O15427 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19877236 0.84 FLT3 (0.40) MAP4K4FLT3KDM4ENPC1RAB9A
SCHEMBL19891638 0.80 FLT3 (0.44) MAP4K4FLT3KMT2AKDM4ENPC1
SCHEMBL21103088 0.78 HPGD (0.47) FLT3KMT2AALOX15KDM4ENPC1
SCHEMBL19006326 0.78 FLT3 (0.35) MAP4K4FLT3MEN1KMT2AKDM4E
SCHEMBL23599921 0.76 MEN1 (0.47) MEN1KMT2ASMN1; SMN2
SCHEMBL17469770 0.74 FLT3 (0.72) MAP4K4FLT3ALOX15TSHR
SCHEMBL5754075 0.71 TSHR (0.74) MEN1KMT2ADUSP3PTPN5PTPN11
SCHEMBL5754068 0.71 TSHR (0.74) MEN1KMT2ADUSP3PTPN5PTPN11
SCHEMBL21103816 0.71 KIT (0.47) FLT3PLAUPLAT
SCHEMBL9537276 0.67 ALDH1A1 (0.45) KMT2APOLBATM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190209548-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME UNIVERSITY OF MARYLAND, BALTIMORE 2019-07-11 US disclosed
US-20170174620-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME UNIVERSITY OF MARYLAND, COLLEGE PARK 2017-06-22 US disclosed
WO-2016014674-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME UNIVERSITY OF MARYLAND, COLLEGE PARK (US) 2016-01-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170174620-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME MCL1, DPYD, TOP2B MAP4K4 2552/4885ENPP2 1883/4885FLT3 2354/4885
US-20190209548-A1 LINKED DIARYL COMPOUNDS WITH ANTICANCER PROPERTIES AND METHODS OF USING THE SAME MCL1, DPYD, TOP2B MAP4K4 2552/4885ENPP2 1883/4885FLT3 2354/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.